methyl 1-[[4-chloranyl-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[[4-chloranyl-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate CAS Name: 1-[[4-chloro-3,5-bis(3,4-dimethylphenyl)-1-pyrazolyl]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC(=C(C=C4)C)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC(=C(C=C4)C)C)Cl)C

InChI

InChI=1S/C25H25ClN4O2/c1-15-6-8-19(12-17(15)3)23-22(26)24(20-9-7-16(2)18(4)13-20)30(28-23)14-29-11-10-21(27-29)25(31)32-5/h6-13H,14H2,1-5H3